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NHHKQCWSQIPXGK-UHFFFAOYSA-N

View entire compound with spectra: 4 NMR

NHHKQCWSQIPXGK-UHFFFAOYSA-N
SpectraBase Compound ID 5NJX0gwibEp
InChI InChI=1S/C11H6BrN3OS/c12-7-3-1-6(2-4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4H,(H2,14,15,16,17)
InChIKey NHHKQCWSQIPXGK-UHFFFAOYSA-N
Mol Weight 308.15 g/mol
Molecular Formula C11H6BrN3OS
Exact Mass 306.941496 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 5emk1FEYj96
Name 5-CYANO-6-(4-BROMOPHENYL)-2-THIOPYRIMIDONE
Compound Number 12
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C11H6BrN3OS
InChI InChI=1S/C11H6BrN3OS/c12-7-3-1-6(2-4-7)9-8(5-13)10(16)15-11(17)14-9/h1-4H,(H2,14,15,16,17)
InChIKey NHHKQCWSQIPXGK-UHFFFAOYSA-N
Literature Reference Author S.BALALAIE,M.BARARJANIAN,F.ROMINGER
Literature Reference Citation J.HETCYCL.CHEM.,43,821(2006)
Literature Reference DOI 10.1002/jhet.5570430402
Molecular Weight 308.152 g/mol
Sample ID 67508
Solvent DMSO-D6